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Tetradecyl-CoA (triammonium)

CAT: 0804-HY-E70273Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-E70273Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Tetradecyl-CoA triammonium is a long-chain acyl-CoA[1].
CAS Number
852043-48-2
UNSPSC
12352204
Target
Endogenous Metabolite
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
O[C@@H]1[C@H](OP(O)(O)=O)[C@@H](COP(O)(OP(O)(OCC(C)([C@H](C(NCCC(NCCSCCCCCCCCCCCCCC)=O)=O)O)C)=O)=O)O[C@H]1N2C3=NC=NC(N)=C3N=C2.N.N.N
Molecular Formula
C35H73N10O16P3S
Molecular Weight
1015.00
References & Citations
[1]Enoch HG, et al. Mechanism of rat liver microsomal stearyl-CoA desaturase. Studies of the substrate specificity, enzyme-substrate interactions, and the function of lipid. J Biol Chem. 1976 Aug 25;251 (16) :5095-103.
Shipping Conditions
Room temperature
Scientific Category
Enzyme
Clinical Information
No Development Reported

Chemical Information

tetradecyl Coenzyme A (ammonium salt)
CAS Number852043-48-2
PubChem CID172641123
IUPAC Nametriazanium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-tetradecylsulfanylethylamino)propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate
Molecular FormulaC35H73N10O16P3S
Molecular Weight1015.0
Topological Polar Surface Area383
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count21
Rotatable Bond Count32
Heavy Atom Count65
Formal Charge0
Complexity1490
SMILES
CCCCCCCCCCCCCCSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])O.[NH4+].[NH4+].[NH4+]
InChI
InChI=1S/C35H64N7O16P3S.3H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-62-20-18-37-26(43)16-17-38-33(46)30(45)35(2,3)22-55-61(52,53)58-60(50,51)54-21-25-29(57-59(47,48)49)28(44)34(56-25)42-24-41-27-31(36)39-23-40-32(27)42;;;/h23-25,28-30,34,44-45H,4-22H2,1-3H3,(H,37,43)(H,38,46)(H,50,51)(H,52,53)(H2,36,39,40)(H2,47,48,49);3*1H3/t25-,28-,29-,30+,34-;;;/m1.../s1
InChIKey
JDSLZFDMZLUDIT-PVWOJWAGSA-N
Chemical Structure
2D Structure
2D structure of tetradecyl Coenzyme A (ammonium salt)
CAS: 852043-48-2
CID: 172641123
Formula: C35H73N10O16P3S
MW: 1015.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1015.0
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count21
Rotatable Bond Count32
Exact Mass1014.41395845
Monoisotopic Mass1014.41395845
Topological Polar Surface Area383 Ų
Heavy Atom Count65
Formal Charge0
Complexity1490
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRP-00422-01Arachidonoyl CoA triammonium
C3343-1000Tetradecyl Phosphonate
MBS5785740Tetradecyl acetate
sc-264386ATetradecyl fluoride
sc-237028Tetradecyl isocyanate
AR-A05400-01Tetradecyl Methoxyacetate
MBS5781669HMBPP triammonium
M35050-01DMAPP triammonium
467325-01Tetradecyl-phosphocholine
467323-01Tetradecyl diphenylphosphate

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